(4R)-2-[6-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole

C20H24N2O2 — CID 10496221

IUPAC(4R)-2-[6-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCO[C@H](c1cccc(C2=N[C@H](c3ccccc3)CO2)n1)C(C)(C)C
InChIInChI=1S/C20H24N2O2/c1-20(2,3)18(23-4)15-11-8-12-16(21-15)19-22-17(13-24-19)14-9-6-5-7-10-14/h5-12,17-18H,13H2,1-4H3/t17-,18+/m0/s1
InChIKeyPRJSHPOOFPNCSY-ZWKOTPCHSA-N
MW324.42 g/mol
LogP4.33
Rot. Bonds4

About (4R)-2-[6-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole

(4R)-2-[6-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 10496221) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (4R)-2-[6-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-[6-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID10496221
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(4R)-2-[6-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCO[C@H](c1cccc(C2=N[C@H](c3ccccc3)CO2)n1)C(C)(C)C
InChIInChI=1S/C20H24N2O2/c1-20(2,3)18(23-4)15-11-8-12-16(21-15)19-22-17(13-24-19)14-9-6-5-7-10-14/h5-12,17-18H,13H2,1-4H3/t17-,18+/m0/s1
InChIKeyPRJSHPOOFPNCSY-ZWKOTPCHSA-N
XLogP4.33
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-[6-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-[6-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole (CID 10496221) is (4R)-2-[6-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-[6-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-[6-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole is CO[C@H](c1cccc(C2=N[C@H](c3ccccc3)CO2)n1)C(C)(C)C.
What is the InChIKey of (4R)-2-[6-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is PRJSHPOOFPNCSY-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(2,3)18(23-4)15-11-8-12-16(21-15)19-22-17(13-24-19)14-9-6-5-7-10-14/h5-12,17-18H,13H2,1-4H3/t17-,18+/m0/s1.
What are the key properties of (4R)-2-[6-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
(4R)-2-[6-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 324.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[6-[(1S)-1-methoxy-2,2-dimethylpropyl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10496221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).